Geometry & MOs

Info

ID:

216265

PubChem CID:

85085965

Reduced:

NO3C14H18 (1)

Stoich.:

AB3C14D18 (1)

Weight, g/mol:

247.157229

ΔHf, kcal/mol:

-82.2

Dipole, Da:

2.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.169060

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(2,6-dimethoxyphenyl)ethenyl]piperidine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=CC2=[N+](CCO2)CCO

DOS

IR

Vibrations